smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN[C@@H](CS)C(=O)[O-]	5579271	166024843	/nfs/dbraw/zinc/02/48/43/166024843.db2.gz	WQDUFAAEIWFXPR-YFKPBYRVSA-N	-1	1	159.210	-0.408	1	30		ABEFMM
C#CCN[C@H](CS)C(=O)[O-]	5827997	166026838	/nfs/dbraw/zinc/02/68/38/166026838.db2.gz	WQDUFAAEIWFXPR-RXMQYKEDSA-N	-1	1	159.210	-0.408	1	30		ABEFMM
CC(=O)N(O)COC[P@](=O)([O-])O	29057473	166254590	/nfs/dbraw/zinc/25/45/90/166254590.db2.gz	ASKKBJYATYHTOH-UHFFFAOYSA-N	-1	1	199.099	-0.667	1	30		ABEFMM
CC(=O)N(O)CCCc1nn[n-]n1	72140940	166254660	/nfs/dbraw/zinc/25/46/60/166254660.db2.gz	QLCNRFXRAHTXKY-UHFFFAOYSA-N	-1	1	185.187	-0.630	1	30		ABEFMM
CC(=O)N(O)C/C=C/[P@](=O)([O-])O	13644038	166255189	/nfs/dbraw/zinc/25/51/89/166255189.db2.gz	LJCWFOKLHHHANO-DUXPYHPUSA-N	-1	1	195.111	-0.085	1	30		ABEFMM
CCNC1=NC(=O)N(C)C(=O)/C1=N/[O-]	101488288	167257556	/nfs/dbraw/zinc/25/75/56/167257556.db2.gz	LFFTURASAAMAHJ-ONNFQVAWSA-N	-1	1	198.182	-0.583	1	30		ABEFMM
COC1=C([O-])[C@H]2O[C@@]2(C)C(=O)C1=O	31392455	168144815	/nfs/dbraw/zinc/14/48/15/168144815.db2.gz	MCUVXXYOZCGKSY-SFYZADRCSA-N	-1	1	184.147	-0.288	1	30		ABEFMM
N[C@@H](CCS)S(=O)(=O)[O-]	12495678	169245014	/nfs/dbraw/zinc/24/50/14/169245014.db2.gz	MHHDKRFQNZZMOE-GSVOUGTGSA-N	-1	1	171.243	-0.521	1	30	endogenous,in-man	ABEFMM
Nc1nc2c(c(=O)[n-]1)C(=O)C=CC2=O	29220146	169305466	/nfs/dbraw/zinc/30/54/66/169305466.db2.gz	HUVIKNUAAJYWNT-UHFFFAOYSA-N	-1	1	191.146	-0.300	1	30		ABEFMM
Nc1ncnc2ncc(/C=N\[O-])nc12	27325252	169310116	/nfs/dbraw/zinc/31/01/16/169310116.db2.gz	VLTYWMDBZQFSAV-OIXVIMQBSA-N	-1	1	190.166	-0.190	1	30		ABEFMM
O=C(CC[P@](=O)([O-])O)NO	28524874	169318351	/nfs/dbraw/zinc/31/83/51/169318351.db2.gz	NJYNBLZKSCNAIK-UHFFFAOYSA-N	-1	1	169.073	-0.940	1	30		ABEFMM
O=C1[N-]C2=NOC(=O)NC2=NO1	1650539	169384926	/nfs/dbraw/zinc/38/49/26/169384926.db2.gz	NCZFFQILBOPIAQ-UHFFFAOYSA-N	-1	1	170.084	-0.703	1	30		ABEFMM
O=C([O-])C[n+]1cccc(/C=N/[O-])c1	45254837	171092495	/nfs/dbraw/zinc/09/24/95/171092495.db2.gz	KXZCMWIDBSTCNI-RUDMXATFSA-O	-1	1	181.171	-0.133	1	30		ABEFMM